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29052-39-9 | 2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-(methylamino)-5-nitroso-
CAS No: 29052-39-9 Catalog No: AG002X71 MDL No:
Product Description
Catalog Number:
AG002X71
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-(methylamino)-5-nitroso-
CAS Number:
29052-39-9
Molecular Formula:
C6H8N4O3
Molecular Weight:
184.1527
IUPAC Name:
1-methyl-6-(methylamino)-5-nitrosopyrimidine-2,4-dione
InChI:
InChI=1S/C6H8N4O3/c1-7-4-3(9-13)5(11)8-6(12)10(4)2/h7H,1-2H3,(H,8,11,12)
InChI Key:
VEMYBCCEXKJJNR-UHFFFAOYSA-N
SMILES:
CNc1c(N=O)c(=O)[nH]c(=O)n1C
NSC Number:
81007
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.155g/mol
Monoisotopic Mass:
184.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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